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Substance Name: 3-Isopropyl-5,7-dimorpholinomethyltropolone
RN: 34723-12-1
InChIKey: SCLKVZOWUNRDIX-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C20-H30-N2-O4

Molecular Weight

  • 362.467
 
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Names and Synonyms

Name of Substance

  • 3-Isopropyl-5,7-dimorpholinomethyltropolone

Synonyms

  • 5,7-Bis(morpholinomethyl)-2-hydroxy-3-isopropyl-2,4,6-cycloheptatrien-1-one
  • BRN 0625303

Systematic Name

  • 2,4,6-Cycloheptatrien-1-one, 5,7-bis(morpholinomethyl)-2-hydroxy-3-isopropyl-

Registry Numbers

CAS Registry Number

  • 34723-12-1

Related Registry Number

  • 36170-25-9 (di-hydrochloride)

System Generated Number

  • 0034723121

Structure Descriptors

InChI

1S/C20H30N2O4/c1-15(2)18-12-16(13-21-3-7-25-8-4-21)11-17(19(23)20(18)24)14-22-5-9-26-10-6-22/h11-12,15H,3-10,13-14H2,1-2H3,(H,23,24)

InChIKey

SCLKVZOWUNRDIX-UHFFFAOYSA-N

Smiles

c1(cc(cc(c(c1=O)O)C(C)C)CN1CCOCC1)CN1CCOCC1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 96mg/kg (96mg/kg)   Yakugaku Zasshi. Journal of Pharmacy. Vol. 92, Pg. 19, 1972.